Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HTR1B | P28222 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR7 | P34969 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR1E | P28566 | 1/20 | 0.42 |
| ▸ | HTR1F | P30939 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7463598 | 0.89 | OPRM1 (0.52) | HTR2AHTR7DRD2HTR1AHTR6 | |
| SCHEMBL7460288 | 0.89 | OPRM1 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL7459744 | 0.87 | SLC6A4 (0.54) | HTR2AHTR7DRD2HTR1AHTR6 | |
| Oxalic Acid SCHEMBL9049243 | 0.86 | HTR1D (0.49) | HTR1BHTR2AHTR7DRD2HTR1A | |
| Oxalic Acid SCHEMBL9048457 | 0.86 | HTR1D (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| Hydrochloric Acid SCHEMBL9050891 | 0.86 | ADRA1D (0.55) | CYP2D6HTR2AHTR7DRD2SLC6A4 | |
| Oxalic Acid SCHEMBL9048375 | 0.85 | MAPT (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL7456066 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| Oxalic Acid SCHEMBL9046836 | 0.85 | SLC6A4 (0.51) | HTR2AHTR7DRD2HTR1ACCR2 | |
| SCHEMBL7460711 | 0.83 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9THPO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708102-B1 | 5-HT1F agonists for the treatment of migraine | LILLY CO ELI (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-0708102-A1 | 5-HT1F agonists for the treatment of migraine | ELI LILLY AND COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |